Molecular Properties | |
SMILES: | O=C(Cc1cccc(Cl)c1)N(C(=O)C1CC1C(F)(F)F)c1cncc2ccccc12 |
MW: | 432.09 |
Fraction sp3: | 0.23 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 50.27 |
cLogP: | 5.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
high halogen content (>3)
JOH-UNI-a38a7bdd-5
0.812
JOH-UNI-a38a7bdd-1
0.687
PET-UNK-6c2be958-1
0.659
VLA-UCB-05e51b3f-15
0.659
VLA-UCB-05e51b3f-17
0.659
DAR-DIA-56cf811e-5
0.640
DAR-DIA-56cf811e-1
0.628
VLA-UCB-05e51b3f-16
0.628
DAR-DIA-076fb6ea-1
0.628
PET-UNK-12d8d43f-2
0.628
JOH-UNI-a38a7bdd-7
0.607
DAR-DIA-076fb6ea-8
0.607
JOH-UNI-50ce7ec3-2
0.598
JOH-UNI-a38a7bdd-2
0.591
DAR-DIA-56cf811e-3
0.587
MAT-POS-bb423b95-7
0.576
DAR-DIA-076fb6ea-3
0.568
DAR-DIA-076fb6ea-11
0.568
PET-UNK-12d8d43f-1
0.563
JOH-UNI-50ce7ec3-1
0.560
PET-UNK-a692de38-1
0.556
PET-UNK-5ecb6237-1
0.551
DAR-DIA-076fb6ea-15
0.549
DAR-DIA-076fb6ea-12
0.539
DAR-DIA-076fb6ea-5
0.532
ALP-UNI-44c99a80-4
0.531
NAU-LAT-4ce8bf23-2
0.527
ALP-UNI-44c99a80-1
0.521
DAR-DIA-076fb6ea-9
0.500
MAT-POS-e69ad64a-3
0.448
JOH-UNI-ee5ed7c8-13
0.433
JOH-UNI-3fc3434e-13
0.433
PET-UNK-e8c7a26f-1
0.432
ADA-UCB-6c2cb422-1
0.429
JOH-UNI-ee5ed7c8-10
0.426
JOH-UNI-3fc3434e-10
0.426
VLA-UCB-05e51b3f-9
0.425
VLA-UCB-50c39ae8-6
0.425
DAR-DIA-6a49afbe-1
0.424
MIC-UNK-67d4a29a-2
0.412
MIC-UNK-67d4a29a-1
0.411
JOH-UNI-a38a7bdd-8
0.402
VLA-UNK-5c5a631c-3
0.400
JOH-UNI-a38a7bdd-3
0.396
JOH-UNI-50ce7ec3-4
0.394
MIC-UNK-67d4a29a-4
0.394
ALF-EVA-a24cc7ce-7
0.394
NIR-THE-2069301b-1
0.389
JOH-UNI-3fc3434e-5
0.388
JOH-UNI-ee5ed7c8-5
0.388
MIC-UNK-67d4a29a-3
0.388
VLA-UCB-50c39ae8-1
0.383
DAR-DIA-6a49afbe-4
0.383
VLA-UCB-05e51b3f-4
0.383
DAR-DIA-56cf811e-6
0.382
JOH-UNI-3fc3434e-9
0.382
JOH-UNI-ee5ed7c8-9
0.382
VLA-UCB-34f3ed0c-19
0.381
ALP-POS-76eab5ce-2
0.379
JOH-UNI-a38a7bdd-9
0.376
JOH-UNI-3fc3434e-11
0.376
JOH-UNI-ee5ed7c8-11
0.376
JOH-UNI-50ce7ec3-3
0.375
JOH-UNI-3fc3434e-7
0.375
JOH-UNI-ee5ed7c8-7
0.375
VLA-UCB-05e51b3f-7
0.372
VLA-UCB-50c39ae8-4
0.372
RUB-POS-1325a9ea-18
0.371
NIR-THE-af15c15d-1
0.369
MAT-POS-e69ad64a-1
0.369
JOH-UNI-a38a7bdd-4
0.367
JOH-UNI-6fede743-2
0.367
NIR-THE-47736cde-2
0.367
NIR-THE-47736cde-1
0.367
MAT-POS-e69ad64a-2
0.367
DAR-DIA-5ff57136-1
0.363
DAR-DIA-5ff57136-2
0.363
ALP-POS-75715966-2
0.361
MAT-POS-173a45da-1
0.361
EDJ-MED-a364e151-3
0.361
EDJ-MED-50fe53e8-1
0.361
JOH-UNI-6fede743-4
0.361
MAT-POS-3cc264b0-1
0.361
PET-UNK-e8c7a26f-2
0.358
ALP-POS-f13221e1-3
0.357
MAT-POS-090737b9-1
0.357
VLA-UCB-50c39ae8-7
0.357
VLA-UCB-05e51b3f-10
0.357
MAT-POS-f7918075-5
0.357
ALP-POS-b3306dea-1
0.355
DAR-DIA-5ff57136-5
0.355
DAR-DIA-56cf811e-2
0.354
DAR-DIA-076fb6ea-2
0.354
JIN-POS-6dc588a4-11
0.354
DAR-DIA-076fb6ea-7
0.353
MAT-POS-90fd5f68-24
0.352
MIC-UNK-cdc2493e-1
0.352
PET-UNK-064639eb-1
0.351
PET-UNK-064639eb-4
0.351
PET-UNK-c5865d42-2
0.351